COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725807
Chemical Name: 4,5,6-trimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc(c(c1C)C)C

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Molecular Weight: 341.39
Empirical Formula: C17H15N3O3S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 3.903
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 124
Number of rings: 2

     

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